N-[6-azanyl-2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-bromanyl-benzamide

Systemtic Name: N-[6-azanyl-2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-bromanyl-benzamide Openeye Name: N-[6-amino-2-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-bromo-benzamide CAS Name: N-[6-amino-2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-4-bromobenzamide IUPAC Name: N-[6-amino-2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-bromobenzamide Traditional Name: N-[6-amino-2-[[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]-4-bromo-benzamide Formula: C20H17BrClN5O3S MolecularWeight: 522.80268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)Br)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C20H17BrClN5O3S/c1-10-2-7-13(8-14(10)22)24-15(28)9-31-20-26-17(23)16(19(30)27-20)25-18(29)11-3-5-12(21)6-4-11/h2-8H,9H2,1H3,(H,24,28)(H,25,29)(H3,23,26,27,30)